(2S,4Ar,6R,7R,7As)-6-(6-Amino-8-Benzylsulfanyl-Purine-1,3,7-Triium-9-Yl)-2-Oxo-2-Sulfanyl-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-7-Ol
Properties
| Property | Value |
|---|---|
| Formula | C17H18N5O5PS2 |
| IUPAC Name | (2s,4ar,6r,7r,7as)-6-(6-amino-8-benzylsulfanyl-purine-1,3,7-triium-9-yl)-2-oxo-2-sulfanyl-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol |
| Molecular Mass | 467.459 g·mol−1 |
| Heat of Formation | -636.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.59 ± 1.08 D |
| Volume | 493.66 Å 3 |
| Surface Area | 396.22 Å 2 |
| HOMO Energy | -8.64 ± 0.55 eV |
| LUMO Energy | 2.17 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AMJSDXGKBAMWEN-LXJUGQNYSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |